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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegdiquat_CONF1_gasPulgar Rubio, AntonioOrca; 5.0.2; RELEASE-def2-TZVPP-573.98041871; Eh
thumbnail.jpegdiquat_CONF1_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASE-def2-TZVPP-573.99789746; Eh
thumbnail.jpegdiquat_CONF1_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASE-def2-TZVPP-573.99003949; Eh
thumbnail.jpegparaquat_CONF1_gasPulgar Rubio, AntonioOrca; 5.0.2; RELEASE-def2-TZVPP-575.18471579; Eh
thumbnail.jpegparaquat_CONF2_gasPulgar Rubio, AntonioOrca; 5.0.2; RELEASE-def2-TZVPP-575.18428655; Eh
thumbnail.jpegparaquat_CONF1_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASE-def2-TZVPP-575.20314293; Eh
thumbnail.jpegparaquat_CONF2_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASE-def2-TZVPP-575.20279993; Eh
thumbnail.jpegparaquat_CONF1_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASE-def2-TZVPP-575.19487233; Eh
thumbnail.jpegparaquat_CONF2_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASE-def2-TZVPP-575.19438406; Eh
thumbnail.jpegdiquat_CONF1_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-574.155346; Eh
thumbnail.jpegdiquat_CONF1_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-574.1709411; Eh
thumbnail.jpegdiquat_CONF1_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-574.1639763; Eh
thumbnail.jpegparaquat__CONF1_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-575.3667621; Eh
thumbnail.jpegparaquat__CONF2_gasPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-575.3667587; Eh
thumbnail.jpegparaquat__CONF1_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-575.3824927; Eh
thumbnail.jpegparaquat__CONF2_octanolPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-575.3824928; Eh
thumbnail.jpegparaquat__CONF1_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-575.3755571; Eh
thumbnail.jpegparaquat__CONF2_waterPulgar Rubio, AntonioGaussian; 16; EM64L-G16RevC.01RB3LYP; TD-FC6-311+G(D,P) 6-311+G(3DF,2P)-575.3755569; Eh
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